density functional (dft) calculations at m05-2x/aug-cc-pvdz level were used to analyze the interactions between dimethyl sulfoxide (dmso) dimers. the structures obtained have been analyzed with the atoms in molecules (aims) and natural bond orbital (nbo) methodologies. four minima were located on the potential energy surface of the dimers. three types of interactions are observed, ch•••o, ch•••...

A new implementation of density functional theory (DFT), namely orbital-corrected orbital-free (OO) DFT, has been developed. With at most two non-self-consistent iterations, OO-DFT accomplishes the accuracy comparable to fully self-consistent Kohn-Sham DFT as demonstrated by its application on the cubic-diamond Si and the face-centered-cubic Ag systems. Our work provides a new impetus to furthe...

For many years, the semiconductor industry has been predicting the emergence of DFT tester market, enabled by increasing number of devices being designed with DFT methodologies such as scan and BIST. The search for low cost DFT tester solutions has resulted in the first ITRS roadmap for a DFT tester in 1999 and a major revision of this roadmap in 2001. While it is generally understood that a DF...

The DFT and Test challenges faced, and the solutions applied, to the ARMl026EJ microprocessor core are described in this paper. New DFT techniques have been created to address the challenges of distributing a DFT core solution that will ultimately end up in many different environments. This core was instantiated into a test chip. The new DFT features were utilized successfully in the SOC.

Large scale Density Functional Theory (DFT) based electronic structure calculations are highly time consuming and scale poorly with system size. While semi-empirical approximations to DFT result in a reduction in computational time versus ab initio DFT, creating such approximations involves significant manual intervention and is highly inefficient for high-throughput electronic structure screen...

The DFT and Test challenges faced, and the solutions applied, to the ARM1026EJ microprocessor core are described in this paper. New DFT techniques have been created to address the challenges of distributing a DFT core solution that will ultimately end up in many different environments. This core was instantiated into a test chip. The new DFT features were utilized successfully in the SoC.

We present an extension of reverse engineered Kohn-Sham potentials from a density matrix renormalization group calculation towards the construction functional theory via deep learning. Instead applying machine learning to energy itself, we apply these techniques potentials. To this end develop scheme train neural network represent mapping local densities Finally, use up-scale simulation larger ...

In this article, we investigate the linear precoder based on the maximization of the minimum Euclidean distance between two received data vectors. This new precoding matrix is expressed as the product of a power allocation matrix and an input-shaping matrix. The input-shaping matrix is selected as a normalized discrete Fourier transform-matrix, and the optimal power allocation depends on the ch...

Sudden cardiac death (SCD) is a major cause of mortality throughout the world, accounting for 300 000 deaths per year in the USA. The introduction of the implantable cardioverter defibrillator (ICD) in the 1980s significantly reduced the risk of SCD by terminating life-threatening ventricular tachyarrhythmias. Subsequent clinical trials confirmed the survival benefit with implanted ICDs in at-r...